4YW6
Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 1 |
| Unit cell lengths | 40.870, 72.980, 79.020 |
| Unit cell angles | 117.52, 104.99, 90.00 |
Refinement procedure
| Resolution | 23.934 - 1.400 |
| R-factor | 0.1864 |
| Rwork | 0.186 |
| R-free | 0.20580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oko |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.379 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.032 | 23.934 | 1.480 |
| High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
| Rmerge | 0.034 | 0.267 | |
| Rmeas | 0.071 | ||
| Rpim | 0.040 | 0.024 | 0.194 |
| Total number of observations | 380562 | 14241 | 53158 |
| Number of reflections | 129508 | ||
| <I/σ(I)> | 7.7 | 13 | 3.5 |
| Completeness [%] | 84.9 | 98.6 | 81.1 |
| Redundancy | 2.9 | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 1.5M ammonium sulfate |
